Chemical Formula | C18H8O2S2 |
Molar Mass | 320.4 g/mol |
Appearance | Likely a solid (no data on color without further research) |
Physical State At Room Temp | Solid |
Solubility | Poorly soluble in water (due to non - polar nature of the molecule, but solubility in organic solvents like dichloromethane, chloroform etc. would need further research) |
Molecular Structure | Consists of two fused benzo[b]thiophene rings with a carbonyl group on each, and a double bond between the two rings |
Uv Vis Absorption | Absorption bands in the visible - near - UV region due to extended conjugation, exact wavelengths need experimental determination |
Ir Absorption | Carbonyl stretching vibrations around 1650 - 1750 cm⁻¹, C - S stretching vibrations around 600 - 800 cm⁻¹ (approximate values) |
Stability | Stable under normal conditions, but may react with strong oxidizing or reducing agents |
What is the chemical structure of 2- (3-Oxobenzo [b] thien-2 (3H) -ylidene) -benzo [b] thiophene-3 (2H) -one?
This is the name of the organic compound, and its chemical structure is inferred according to this name. The meaning of each part needs to be analyzed in detail. "2 - (3-oxo benzo [b] thiophene-2 (3H) -subunit) -benzo [b] thiophene-3 (2H) -ketone", "benzo [b] thiophene" is the basic structural unit, which is formed by fusing the benzene ring with the thiophene ring, and the specific position is marked with the state of the hydrogen atom. "3-oxo" indicates that there is an oxo group, that is, a carbonyl group, at the 3rd position of the benzo [b] thiophene ring. " 2 (3H) -subunit "means that it is in a specific unsaturated state at position 2, and there are double bonds to form a subunit structure. The entire" 2- (3-oxybenzo [b] thiophene-2 (3H) -subunit) "part is connected as a substituent to position 2 of another" benzo [b] thiophene-3 (2H) -ketone "structure." Benzo [b] thiophene-3 (2H) -ketone "itself is a ketone carbonyl at position 3, and position 2 is a specific hydrogen atomic state. Overall, its chemical structure is composed of two benzo [b] thiophene structures, which are connected by substituents at specific positions, and each carbonyl group is in the corresponding position, presenting a more complex fused ring organic compound structure, full of unsaturated bonds and specific functional group layouts, and may have specific physical and chemical properties and reactivity in the field of organic chemistry.
What are the physical properties of 2- (3-Oxobenzo [b] thien-2 (3H) -ylidene) -benzo [b] thiophene-3 (2H) -one?
2-%283-Oxobenzo%5Bb%5Dthien-2%283H%29-ylidene%29-benzo%5Bb%5Dthiophene-3%282H%29-one, this is an organic compound. Its physical properties are quite important, related to its application in different scenarios.
Looking at its appearance, it often takes a specific shape. Or it is crystalline, with a regular texture and a certain luster, just like a carefully carved crystal, emitting a unique brilliance. This appearance characteristic may be closely related to the arrangement of its molecules, and the regular arrangement causes it to take on this shape.
Melting point is also a key physical property. The specific melting point temperature makes the compound melt from solid to liquid when heated to a certain exact value. This melting point may be determined by the intermolecular force, which requires higher energy to destroy the crystal lattice, and the melting point is correspondingly higher.
In terms of solubility, it shows different characteristics in different solvents. In organic solvents, it may have a certain solubility. Due to the principle of similarity and miscibility, organic molecules and organic solvents have similar molecular structures and are more likely to interact and dissolve. However, in water, the solubility may be very low, because the molecular polarity is quite different from that of water molecules, and the interaction is weak.
In addition, the density of the compound is also one of its physical properties. Density reflects the mass per unit volume, and this property is closely related to the molecular mass and molecular accumulation. If the molecular mass is large and the accumulation is close, the density is higher.
The physical properties of this compound are interrelated, which together determine its behavior in different environments, which is of great significance for its application in materials science, chemical synthesis and many other fields.
What are the main uses of 2- (3-Oxobenzo [b] thien-2 (3H) -ylidene) -benzo [b] thiophene-3 (2H) -one?
2-%283-Oxobenzo%5Bb%5Dthien-2%283H%29-ylidene%29-benzo%5Bb%5Dthiophene-3%282H%29-one, this is an organic compound with a wide range of main uses.
In the field of organic synthesis, this compound is often used as a key intermediate. Due to its unique chemical structure, many compounds with special properties and uses can be derived through various chemical reactions. For example, by condensation with specific reagents, more complex polycyclic compound systems can be constructed. Such polycyclic compounds may have potential biological activities in the field of drug development and can be used as lead compounds for screening and development of new drugs.
In the field of materials science, it also has important applications. Because of its specific electronic structure and optical properties, it can be used to prepare organic optoelectronic materials. If applied to organic Light Emitting Diode (OLED), with its unique luminous properties, it may improve the luminous efficiency and color purity of OLED, thus contributing to the development of display technology. At the same time, in the exploration of organic solar cell materials, this compound may contribute to the improvement of the photoelectric conversion efficiency of solar cells by virtue of its light absorption and charge transport capabilities.
In addition, at the level of scientific research and exploration, as a research object, scientists can expand the basic theoretical knowledge of organic chemistry through in-depth research on its chemical properties and reaction mechanism, and lay a solid foundation for the further development of related fields. In short, 2-%283-Oxobenzo%5Bb%5Dthien-2%283H%29-ylidene%29-benzo%5Bb%5Dthiophene-3%282H%29-one has important value and use in many aspects of organic synthesis, materials science and scientific research.
What are the synthesis methods of 2- (3-Oxobenzo [b] thien-2 (3H) -ylidene) -benzo [b] thiophene-3 (2H) -one?
To prepare 2 - (3 -oxybenzo [b] thiophene-2 (3H) -subunit) -benzo [b] thiophene-3 (2H) -one, there are many methods, and each has its advantages and disadvantages. The following is described in detail.
First, benzo [b] thiophene-2,3 -dione is used as the starting material. First, it can be reacted with an appropriate aldehyde under alkali catalysis through Knoevenagel condensation to obtain the target product. In this process, the choice of base is very critical, and organic bases such as piperidine and pyridine are commonly used. Taking piperidine as an example, it can effectively catalyze the reaction, but it is necessary to pay attention to the control of the reaction temperature and time. If the temperature is too high, it is easy to cause side reactions to occur; if the time is too long, it may also affect the purity and yield of the product. The reaction is usually carried out in organic solvents, such as ethanol, toluene, etc. The polarity and solubility of organic solvents have a great influence on the reaction. The polarity of ethanol is suitable, which can fully dissolve the reactants and promote the smooth progress of the reaction.
Second, thiophene derivatives are used as raw materials to construct the target molecular structure through multi-step reaction. First, the thiophene ring is functionalized at a specific position, and key groups such as carbonyl are introduced. Then, through intramolecular cyclization, the benzo [b] thioph Although this method is complex, it can precisely control the molecular structure and improve the purity of the product. However, each step of the reaction requires strict control of the reaction conditions, from the proportion of reactants, reaction temperature to reaction time, there can be no slack. For example, in a halogenation reaction, the amount of halogenating agent and reaction temperature are slightly deviated, which may generate a variety of by-products and interfere with the subsequent reaction.
Third, the coupling reaction catalyzed by transition metals. Select a suitable halogenated benzo [b] thiophene derivative with alkenyl borate or alkenyl halide, and under the action of a transition metal catalyst (such as palladium catalyst), a coupling reaction occurs, and then the carbon-carbon double bond structure of the target product is constructed. This method has high efficiency and good selectivity. However, transition metal catalysts are expensive and the reaction cost is high. At the same time, the reaction system is extremely sensitive to impurities, and the cleanliness of the reaction environment needs to be strictly controlled, otherwise the catalyst activity will be easily affected and the reaction yield will be reduced.
All the above synthesis methods have their own advantages. In practical application, the choice should be made carefully according to factors such as specific needs, raw material availability, and cost considerations.
What are the characteristics of 2- (3-Oxobenzo [b] thien-2 (3H) -ylidene) -benzo [b] thiophene-3 (2H) -one in chemical reactions?
2-% (3-oxybenzo [b] thiophene-2 (3H) -subunit) -benzo [b] thiophene-3 (2H) -ketone is a unique organic compound with unique structure, which is quite characteristic in various chemical reactions.
This compound contains fused thiophene and benzene ring structures, which endow it with special electronic effects and spatial configurations. Due to its wide range of conjugate systems, it has unique photophysical properties. In photochemical reactions, it may exhibit excellent light absorption and emission properties, such as participating in photoinduced electron transfer reactions. Under specific light excitation, the distribution of electron clouds changes, promoting the reaction process.
Its carbonyl and subunit parts are highly active. The carbon-oxygen double bond in the carbonyl group is polar and vulnerable to attack by nucleophiles. In case of nucleophiles containing active hydrogen, carbonyl carbon atoms or reaction check points, nucleophilic addition reactions are initiated, such as reacting with alcohol nucleophiles, or forming hemiacetal or acetal products. As part of the conjugated system, the subunit part has good electron fluidity and can be used as a reactive check point in electrophilic addition or cyclization reactions. In combination with electrophilic reagents, new chemical bonds are formed to construct more complex cyclic structures.
In addition, the stereochemical characteristics of the compound also affect the reaction selectivity. The existence of the fused ring system defines the molecular conformation, which can guide the reagent to attack from a specific direction in the asymmetric synthesis reaction to achieve high stereoselectivity product formation. In the catalytic reaction system, it can interact with the catalyst by means of its unique structure and activity check point, or complex with the metal catalyst as a ligand, change the electron cloud density and spatial environment of the catalyst, and then regulate the catalytic reaction activity and selectivity.
In summary, 2% (3-oxybenzo [b] thiophene-2 (3H) -subunit) -benzo [b] thiophene-3 (2H) -ketone, with its special structure, exhibits diverse and unique reaction characteristics in many chemical reactions, providing rich possibilities for research in the fields of organic synthesis and materials chemistry.